7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine

C42H28N4OS — CID 166801882

IUPAC7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2oc3cc(-c4cccc5c4sc4ccccc45)cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c3c2NC1
InChIInChI=1S/C42H28N4OS/c1-2-11-26(12-3-1)40-44-41(28-20-19-25-10-4-5-13-27(25)22-28)46-42(45-40)33-23-29(24-35-37(33)38-34(47-35)17-9-21-43-38)30-15-8-16-32-31-14-6-7-18-36(31)48-39(30)32/h1-20,22-24,41,43H,21H2,(H,44,45,46)
InChIKeyRAQGXMOYRBQTAN-UHFFFAOYSA-N
MW636.78 g/mol
LogP10.56
Rot. Bonds4

About 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine

7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine (PubChem CID 166801882) has the molecular formula C42H28N4OS and a molecular weight of 636.78 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
PubChem CID166801882
Molecular FormulaC42H28N4OS
Molecular Weight636.78 g/mol
Exact Mass636.20
IUPAC Name7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2oc3cc(-c4cccc5c4sc4ccccc45)cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c3c2NC1
InChIInChI=1S/C42H28N4OS/c1-2-11-26(12-3-1)40-44-41(28-20-19-25-10-4-5-13-27(25)22-28)46-42(45-40)33-23-29(24-35-37(33)38-34(47-35)17-9-21-43-38)30-15-8-16-32-31-14-6-7-18-36(31)48-39(30)32/h1-20,22-24,41,43H,21H2,(H,44,45,46)
InChIKeyRAQGXMOYRBQTAN-UHFFFAOYSA-N
XLogP10.56
TPSA61.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.78
LogP ≤ 510.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
CID 166801281
2-dibenzothiophen-4-yl-6-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 167029654
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170187158
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
5-[4-[2,6-bis(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzothiophen-4-ylphenyl]benzo[b]carbazole
CID 155475191
2-cyclohexa-1,5-dien-1-yl-6-dibenzothiophen-1-yl-4-(7-dibenzothiophen-4-yldibenzothiophen-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167044861
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-chrysen-1-yl-4-dibenzothiophen-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 163690426
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine (CID 166801882) is 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine is C1=Cc2oc3cc(-c4cccc5c4sc4ccccc45)cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c3c2NC1.
What is the InChIKey of 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The InChIKey is RAQGXMOYRBQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4OS/c1-2-11-26(12-3-1)40-44-41(28-20-19-25-10-4-5-13-27(25)22-28)46-42(45-40)33-23-29(24-35-37(33)38-34(47-35)17-9-21-43-38)30-15-8-16-32-31-14-6-7-18-36(31)48-39(30)32/h1-20,22-24,41,43H,21H2,(H,44,45,46).
What are the key properties of 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine has a molecular weight of 636.78 g/mol, XLogP of 10.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 166801882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).